7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride

C15H10ClN3O3 — CID 10543398

IUPAC7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride
SMILESCc1cc(C(=O)Cl)c2c(=O)n(-c3ccccc3)c(=O)[nH]c2n1
InChIInChI=1S/C15H10ClN3O3/c1-8-7-10(12(16)20)11-13(17-8)18-15(22)19(14(11)21)9-5-3-2-4-6-9/h2-7H,1H3,(H,17,18,22)
InChIKeyXPNZAPYUSNSNQK-UHFFFAOYSA-N
MW315.72 g/mol
LogP1.76
Rot. Bonds2

About 7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride

7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride (PubChem CID 10543398) has the molecular formula C15H10ClN3O3 and a molecular weight of 315.72 g/mol. Its IUPAC name is 7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride.

Molecular Properties

Compound Name7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride
PubChem CID10543398
Molecular FormulaC15H10ClN3O3
Molecular Weight315.72 g/mol
Exact Mass315.04
IUPAC Name7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride
SMILESCc1cc(C(=O)Cl)c2c(=O)n(-c3ccccc3)c(=O)[nH]c2n1
InChIInChI=1S/C15H10ClN3O3/c1-8-7-10(12(16)20)11-13(17-8)18-15(22)19(14(11)21)9-5-3-2-4-6-9/h2-7H,1H3,(H,17,18,22)
InChIKeyXPNZAPYUSNSNQK-UHFFFAOYSA-N
XLogP1.76
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride with MolForge

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Related Compounds

3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 68654276
2,5,7-trimethyl-3-phenylpyrido[2,3-d]pyrimidin-4-one
CID 134914470
2,6-dimethyl-3-phenylpyrimidin-4-one
CID 608225
2,5-dimethyl-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 14615882
7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid
CID 20791091
6-phenyl-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 68656262
5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione
CID 102443684
2-[(6-methyl-4-oxo-3-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 50927752
3-(3-chlorophenyl)-5-methyl-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-7-carboxylic acid
CID 134120184
3-(4-chlorophenyl)-5-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 3283448
methyl 3-(2-anilino-2-oxoethyl)-7-methyl-2,4-dioxo-1-phenylpyrido[2,3-d]pyrimidine-5-carboxylate
CID 17250645
N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide
CID 24531761

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride?
The IUPAC name of 7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride (CID 10543398) is 7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride.
What is the SMILES notation for 7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride?
The canonical SMILES for 7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride is Cc1cc(C(=O)Cl)c2c(=O)n(-c3ccccc3)c(=O)[nH]c2n1.
What is the InChIKey of 7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride?
The InChIKey is XPNZAPYUSNSNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3/c1-8-7-10(12(16)20)11-13(17-8)18-15(22)19(14(11)21)9-5-3-2-4-6-9/h2-7H,1H3,(H,17,18,22).
What are the key properties of 7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride?
7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride has a molecular weight of 315.72 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,4-dioxo-3-phenyl-1H-pyrido[2,3-d]pyrimidine-5-carbonyl chloride is sourced from PubChem (CID 10543398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).